methyl 2-methyl-2-[[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 2-methyl-2-[[[1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 2-methyl-2-[[1-[4-(methylamino)-3-nitro-phenyl]sulfonylisonipecotoyl]amino]propionic acid methyl ester Formula: C18H26N4O7S MolecularWeight: 442.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O7S/c1-18(2,17(24)29-4)20-16(23)12-7-9-21(10-8-12)30(27,28)13-5-6-14(19-3)15(11-13)22(25)26/h5-6,11-12,19H,7-10H2,1-4H3,(H,20,23)